Crystallography Open Database

Information card for entry 7247184

Preview

Coordinates	7247184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 N4 O2
Calculated formula	C24 H26 N4 O2
SMILES	O(c1ccc(/N=N/c2cc(/N=N/c3ccc(OC)cc3)ccc2)cc1)CC(C)(C)C
Title of publication	Photoliquefaction and phase transition of m-bisazobenzenes give molecular solar thermal fuels with a high energy density
Authors of publication	Morikawa, Masa-aki; Yamanaka, Yuta; Ho Hui, Joseph Ka; Kimizuka, Nobuo
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	34
Pages of publication	24031 - 24037
a	7.109 ± 0.0001 Å
b	6.3535 ± 0.0001 Å
c	23.47 ± 0.0006 Å
α	90°
β	95.487 ± 0.002°
γ	90°
Cell volume	1055.21 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285615 (current)	2023-08-11	cif/ Adding structures of 7247183, 7247184 via cif-deposit CGI script.	7247184.cif